SCHEMBL8048622

SCHEMBL8048622

Cc1ncc([N+](=O)[O-])n1N(CCCCN)n1c([N+](=O)[O-])cnc1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
THRB P10828 2/20 0.43
TSHR P16473 1/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
ATM Q13315 1/20 0.42
CA12 O43570 4/20 0.41
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM1 P11229 1/20 0.39
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8054020 0.99 LMNA (0.43) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL7801733 0.77 LMNA (0.57) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL7951777 0.76 LMNA (0.56) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL8006676 0.76 LMNA (0.56) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL18633373 0.74 LMNA (0.68) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL8026050 0.70 MAPK1 (0.43) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL1031729 0.70 LMNA (0.71) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL27396057 0.69 CA1 (0.62) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL8595549 0.69 MAPK1 (0.42) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL8024400 0.69 MAPK1 (0.45) LMNAALDH1A1MAPK1THRBTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060604-A FOR RADIOTHERAPY TECHNIQUES, INCREASING TUMOR RADIOSENSITIVITY FLORIDA STATE UNIVERSITY (US) 2000-05-09 US disclosed
US-6057453-A OXIDATION, FORMING RADIOSENSITIZING DIAMINES, REDUCTION FLORIDA STATE UNIVERSITY (US) 2000-05-02 US disclosed